E823-0416 Screening compound: 3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one

E823-0416 Screening compound: 3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one
E823-0416 Screening compound: 3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0416
3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E823-0416

Molecular Formula

C21H26BrN5O3 (C21 H26 BrN5 O3)

Compound Name

3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-(3-{[4-(4-bromobenzoyl)piperazin-1-yl]methyl}-124-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one

SMILES

O=C(CCc1nc(CN(CC2)CCN2C(c(cc2)ccc2Br)=O)no1)N1CCCC1

InChI

InChI=1S/C21H26BrN5O3/c22-17-5-3-16(4-6-17)21(29)27-13-11-25(12-14-27)15-18-23-19(30-24-18)7-8-20(28)26-9-1-2-10-26/h3-6H,1-2,7-15H2

InChI Key

JMSGIUVQFXTVEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920627

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

476.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

1.887

Water Solubility, LogSw

-2.31

Polar Surface Area

69.519

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

E823-0416 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E823-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0416?
Check Price and Availability of E823-0416, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E823-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0416
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E823-0416 available by request